Basic information
- CAS
531-05-5- Standard SMILES
c1ccc(C2SC(c3ccccc3)SC(c3ccccc3)S2)cc1- InChIKey
HJHSNTOTXYILIV-UHFFFAOYSA-N- Molecular formula
- C21H18S3
- Average molar mass
- 366.6 g/mol
- Monoisotopic mass
- 366.05706409
Names & identifiers
- Preferred name
- Trithiobenzaldehyde
- IUPAC
- 2,4,6-triphenyl-1,3,5-trithiane
- English name
- 2,4,6-Triphenyl-1,3,5-trithiane
- Molecular formula
- C21H18S3
- Molecular weight
- 366.56
Names & synonyms
2,4,6-Triphenyl-1,3,5-trithiane1,3,5-Trithiane, 2,4,6-triphenyl-TrithiobenzaldehydeTriphenyl-s-trithiane2,4,6-Triphenyl-s-trithianeBenzenecarbothioaldehyde, trimerDTXSID40296566s-Trithiane, 2,4,6-triphenyl-2,4,6-Triphenyl-1,3,5-trithiacyclohexaneRefChem:386761DTXCID30247704HJHSNTOTXYILIV-UHFFFAOYSA-N
Show more names
531-05-5TrithiobenzaldehydNSC1099272,6-Triphenyl-s-trithianes-Trithiane,4,6-triphenyl-SCHEMBL119813082,6-Triphenyl-1,3,5-trithiane1,5-Trithiane, 2,4,6-triphenyl-
Database identifiers
- CAS
531-05-5- PubChem CID
- 269271
- DTXSID
DTXSID40296566- Nikkaji
- J1.091.947I、J129.656F、J136.447B、J136.448K
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 298
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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